SCHEMBL28219807

SCHEMBL28219807

CC1=C(C)C(C)=C(C)[C]1C1C=C(c2cccc(CN)c2)c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 4/20 0.39
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
CSNK2A1 P68400 2/20 0.33
TAAR1 Q96RJ0 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
CFD P00746 4/20 0.32
HCRTR1 O43613 2/20 0.32
HCRTR2 O43614 2/20 0.32
NMT1 P30419 1/20 0.32
KARS1 Q15046 1/20 0.31
PNMT P11086 1/20 0.31
ENPP2 Q13822 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28860141 0.88 IDO1 (0.36) HTR7HCRTR1HCRTR2
SCHEMBL28860142 0.88 TAAR1 (0.39) HTR7TAAR1LOXL2
SCHEMBL28219888 0.86 HTR7 (0.38) HTR7
SCHEMBL28219806 0.84 PSMB5 (0.37) HTR7
SCHEMBL28219801 0.80 AURKA (0.32)
SCHEMBL28219802 0.77 DPP4 (0.39) NOS3NOS1NOS2PNMT
SCHEMBL28302273 0.76
SCHEMBL28219444 0.76 EDNRB (0.36)
SCHEMBL28219808 0.74 HSD11B1 (0.32)
SCHEMBL28219791 0.72 HTR2C (0.35)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108137729-A It is used to form the catalyst of multimodal polymer 埃克森美孚化学专利公司 2018-06-08 CN disclosed